UCSF

ZINC41681746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.00 5.02 -104.39 4 5 2 69 315.483 8
Hi High (pH 8-9.5) 0.00 2.55 -54.98 3 5 1 68 314.475 8
Hi High (pH 8-9.5) 0.00 2.25 -7.94 2 5 0 67 313.467 8

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )